N-[3-(cyclopentyloxy)propyl]-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 375141
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: c1(=O)cc(C(=O)NCCCOC2CCCC2)ccn1CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)NCCCOC1CCCC1
• InChI: InChI=1S/C16H24N2O3/c1-2-18-10-8-13(12-15(18)19)16(20)17-9-5-11-21-14-6-3-4-7-14/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,20)
• InChIKey: YQJCZTNJAOVFQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-1-ethyl-2-oxopyridine-4-carboxamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.704461
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8168188
• LogD (pH = 7.4): 0.8168193
• Log P: 0.81681937
• Molar Refractivity: 82.7308 cm^3
• Polarizability: 31.378796 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.84
• LOG S: -2.05
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 7